methyl 2-[(3-bromophenyl)carbonylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(3-bromophenyl)carbonylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(3-bromobenzoyl)amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(3-bromophenyl)-oxomethyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-bromobenzoyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-bromobenzoyl)amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C19H20BrNO3S MolecularWeight: 422.336

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C19H20BrNO3S/c1-3-11-7-8-14-15(9-11)25-18(16(14)19(23)24-2)21-17(22)12-5-4-6-13(20)10-12/h4-6,10-11H,3,7-9H2,1-2H3,(H,21,22)